ArticlePolymers2025
Molecular Level Understanding of Amine Structural Variations on Diaminodiphenyl Sulfone to Thermomechanical Characteristics in Bifunctional Epoxy Resin: Molecular Dynamics Simulation Approach.
Article in Polymers, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Epoxy-based composite materials, widely used in various industries such as coatings, adhesives, aerospace, electronics, and biomedical engineering, remain a topic of global interest due to their varying characteristics based on the base resin and curing agents used. This paper employs molecular dynamics simulation to examine the thermal and mechanical properties, as well as molecular behaviors, of epoxy systems cured with diglycidyl ether of bisphenol F as the base resin and aromatic amine curing agents, specifically the meta structure of 3,3'-diaminodiphenyl sulfone (3,3'-DDS) and the para structure of 4,4'-diaminodiphenyl sulfone (4,4'-DDS). The 3,3'-DDS system demonstrated a greater density and Young's modulus than the 4,4'-DDS system. This tendency was analyzed based on differences in molecular fractional free volume and cohesive energy density (CED). The 4,4'-DDS system exhibits a higher glass transition temperature (T
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